Abstract

The binary nucleation of phase separated Lennard-Jones nanoclusters was observed using Molecular Dynamics (MD) simulations. MD provides insight into the structure as well as the dynamics of the inhomogeneous clusters formed. Modification of the potential parameters allows control of the transition from homogeneously coated clusters to "Janus"-particles, with two distinct regions combined within the same particle. From the analysis of the intermolecular behavior we learned which parameters to tune for future, direct syntheses of these inhomogeneous nanoparticles by nucleation processes from the gas phase.